Iron in PDB 9jew: Crystal Structure of A Cupin Protein (TM1459, C106V Mutant) in Iron (Fe) Substituted Form

The structure of Crystal Structure of A Cupin Protein (TM1459, C106V Mutant) in Iron (Fe) Substituted Form, PDB code: 9jew was solved by N.Fujieda, H.Ichihashi, G.Kurisu, S.Itoh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.08
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.55, 57.866, 74.93, 90, 90, 90
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the Crystal Structure of A Cupin Protein (TM1459, C106V Mutant) in Iron (Fe) Substituted Form (pdb code 9jew). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of A Cupin Protein (TM1459, C106V Mutant) in Iron (Fe) Substituted Form, PDB code: 9jew:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of A Cupin Protein (TM1459, C106V Mutant) in Iron (Fe) Substituted Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of A Cupin Protein (TM1459, C106V Mutant) in Iron (Fe) Substituted Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1201 b:10.2 occ:0.83 NE2 A:HIS92 2.1 12.2 1.0 NE2 A:HIS58 2.1 12.4 1.0 NE2 A:HIS54 2.1 12.5 1.0 O A:HOH1371 2.1 15.8 1.0 NE2 A:HIS52 2.1 12.6 1.0 O A:HOH1370 2.1 15.8 1.0 CE1 A:HIS92 3.0 11.8 1.0 CE1 A:HIS52 3.0 13.4 1.0 CE1 A:HIS58 3.0 15.8 1.0 CE1 A:HIS54 3.0 12.3 1.0 HE1 A:HIS52 3.1 16.1 1.0 CD2 A:HIS58 3.1 13.8 1.0 CD2 A:HIS54 3.1 13.0 1.0 CD2 A:HIS92 3.1 11.4 1.0 HE1 A:HIS92 3.1 14.1 1.0 HE1 A:HIS54 3.2 14.8 1.0 HE1 A:HIS58 3.2 19.0 1.0 CD2 A:HIS52 3.2 12.7 1.0 HD2 A:HIS58 3.3 16.6 1.0 HD2 A:HIS54 3.3 15.6 1.0 HD2 A:HIS92 3.4 13.6 1.0 HD2 A:HIS52 3.5 15.2 1.0 ND1 A:HIS92 4.1 10.9 1.0 ND1 A:HIS58 4.1 16.4 1.0 ND1 A:HIS52 4.2 12.8 1.0 ND1 A:HIS54 4.2 12.8 1.0 O A:HOH1406 4.2 23.9 1.0 CG A:HIS92 4.3 10.8 1.0 CG A:HIS58 4.3 11.9 1.0 CG A:HIS54 4.3 12.1 1.0 CG A:HIS52 4.3 11.7 1.0 O A:HOH1386 4.4 14.9 1.0 HE2 A:PHE94 4.5 17.1 1.0 HD1 A:HIS92 4.9 13.0 1.0 HD1 A:HIS52 4.9 15.3 1.0 HD1 A:HIS58 4.9 19.7 1.0 HE1 A:TRP56 4.9 13.5 1.0 HD1 A:HIS54 5.0 15.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of A Cupin Protein (TM1459, C106V Mutant) in Iron (Fe) Substituted Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of A Cupin Protein (TM1459, C106V Mutant) in Iron (Fe) Substituted Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe2201 b:10.5 occ:0.90 NE2 B:HIS54 2.0 12.2 0.7 NE2 B:HIS92 2.0 11.5 1.0 NE2 B:HIS58 2.1 10.1 0.3 NE2 B:HIS52 2.1 13.2 1.0 NE2 B:HIS58 2.1 13.2 0.7 O B:HOH2359 2.2 18.3 1.0 O B:HOH2391 2.2 22.5 1.0 NE2 B:HIS54 2.2 12.5 0.3 CD2 B:HIS54 3.0 12.2 0.7 CE1 B:HIS54 3.0 13.0 0.7 CE1 B:HIS92 3.0 11.0 1.0 CE1 B:HIS58 3.0 11.1 0.3 CE1 B:HIS52 3.1 14.2 1.0 CE1 B:HIS58 3.1 13.2 0.7 CD2 B:HIS92 3.1 11.4 1.0 CD2 B:HIS58 3.1 10.0 0.3 CE1 B:HIS54 3.1 10.8 0.3 CD2 B:HIS58 3.1 13.4 0.7 CD2 B:HIS52 3.1 12.7 1.0 HE1 B:HIS92 3.2 13.2 1.0 HD2 B:HIS54 3.2 167.9 0.7 HE1 B:HIS52 3.2 17.1 1.0 HE1 B:HIS58 3.2 13.4 0.3 HE1 B:HIS54 3.2 167.9 0.7 CD2 B:HIS54 3.2 10.8 0.3 HE1 B:HIS58 3.2 22.3 0.7 HD2 B:HIS92 3.3 13.7 1.0 HD2 B:HIS58 3.3 11.9 0.3 HE1 B:HIS54 3.3 13.0 0.3 HD2 B:HIS58 3.3 43.4 0.7 HD2 B:HIS52 3.3 15.3 1.0 HD2 B:HIS54 3.4 12.9 0.3 ND1 B:HIS54 4.1 13.0 0.7 CG B:HIS54 4.1 12.0 0.7 ND1 B:HIS92 4.2 10.6 1.0 ND1 B:HIS58 4.2 10.4 0.3 ND1 B:HIS52 4.2 13.3 1.0 ND1 B:HIS58 4.2 14.4 0.7 CG B:HIS58 4.2 12.3 0.3 CG B:HIS92 4.2 11.1 1.0 ND1 B:HIS54 4.3 12.3 0.3 CG B:HIS52 4.3 13.1 1.0 CG B:HIS58 4.3 12.1 0.7 O B:HOH2414 4.3 52.5 1.0 CG B:HIS54 4.4 11.4 0.3 HE2 B:PHE94 4.4 14.6 1.0 O B:HOH2393 4.4 24.7 1.0 HD1 B:HIS54 4.9 12.5 0.7 HD1 B:HIS92 4.9 12.8 1.0 HD1 B:HIS58 4.9 12.4 0.3 HD1 B:HIS52 4.9 16.0 1.0 HD1 B:HIS58 5.0 31.0 0.7

N.Fujieda, K.I.Ishihama, H.Ichihashi, S.Yanagisawa, G.Kurisu, S.Itoh. Unusual Self-Hydroxylation in 4-Histidine Tetrad-Supporting Nonheme Iron Center. Chem Asian J 01191 2025.
ISSN: ESSN 1861-471X
PubMed: 40260495
DOI: 10.1002/ASIA.202401191